CID 54747186

Lepidissipyrone

Structural Information

Molecular Formula
C24H22O7
SMILES
CCC1=C(C(=C(C(=O)O1)CC2=C(C3=C(C=C2O)OC(CC3=O)C4=CC=CC=C4)O)O)C
InChI
InChI=1S/C24H22O7/c1-3-18-12(2)22(27)15(24(29)31-18)9-14-16(25)10-20-21(23(14)28)17(26)11-19(30-20)13-7-5-4-6-8-13/h4-8,10,19,25,27-28H,3,9,11H2,1-2H3
InChIKey
OOCUGTZJHIRSOO-UHFFFAOYSA-N
Compound name
6-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.13657 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14385 202.1
[M+Na]+ 445.12579 211.2
[M-H]- 421.12929 211.4
[M+NH4]+ 440.17039 208.8
[M+K]+ 461.09973 208.7
[M+H-H2O]+ 405.13383 192.4
[M+HCOO]- 467.13477 215.9
[M+CH3COO]- 481.15042 226.1
[M+Na-2H]- 443.11124 202.1
[M]+ 422.13602 206.0
[M]- 422.13712 206.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.